N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C14H24N4O3S — CID 19290527

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1ncc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C14H24N4O3S/c1-4-18-11(2)13(10-16-18)9-15-14(19)12-5-7-17(8-6-12)22(3,20)21/h10,12H,4-9H2,1-3H3,(H,15,19)
InChIKeyNMYRYMKBQNCMJH-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.50
Rot. Bonds5

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 19290527) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID19290527
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCn1ncc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C14H24N4O3S/c1-4-18-11(2)13(10-16-18)9-15-14(19)12-5-7-17(8-6-12)22(3,20)21/h10,12H,4-9H2,1-3H3,(H,15,19)
InChIKeyNMYRYMKBQNCMJH-UHFFFAOYSA-N
XLogP0.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 19290527) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is CCn1ncc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NMYRYMKBQNCMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-4-18-11(2)13(10-16-18)9-15-14(19)12-5-7-17(8-6-12)22(3,20)21/h10,12H,4-9H2,1-3H3,(H,15,19).
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 19290527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).